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3-(3-Methoxy-phenyl)-2-[2-(3-nitro-phenyl)-vinyl]-3H-quinazolin-4-one
SpectraBase Compound ID 1bPrIbZJuxb
InChI InChI=1S/C23H17N3O4/c1-30-19-9-5-7-17(15-19)25-22(24-21-11-3-2-10-20(21)23(25)27)13-12-16-6-4-8-18(14-16)26(28)29/h2-15H,1H3/b13-12+
InChIKey SKINFOVXNPTTGT-OUKQBFOZSA-N
Mol Weight 399.41 g/mol
Molecular Formula C23H17N3O4
Exact Mass 399.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YfLKzmcbyy
Name 3-(3-Methoxy-phenyl)-2-[2-(3-nitro-phenyl)-vinyl]-3H-quinazolin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 399.121906035 u
Formula C23H17N3O4
InChI InChI=1S/C23H17N3O4/c1-30-19-9-5-7-17(15-19)25-22(24-21-11-3-2-10-20(21)23(25)27)13-12-16-6-4-8-18(14-16)26(28)29/h2-15H,1H3/b13-12+
InChIKey SKINFOVXNPTTGT-OUKQBFOZSA-N
Molecular Weight 399.406 g/mol
SMILES C12=C(C=CC=C2)N=C(N(C1=O)C1=CC=CC(=C1)OC)\C=C\C1=CC=CC(=C1)N(=O)=O